7-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C9H11N5O2 — CID 104892913

IUPAC7-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESO=c1[nH]nc2cc(N3CC[C@H](O)C3)ncn12
InChIInChI=1S/C9H11N5O2/c15-6-1-2-13(4-6)7-3-8-11-12-9(16)14(8)5-10-7/h3,5-6,15H,1-2,4H2,(H,12,16)/t6-/m0/s1
InChIKeyGEBWAOZNDXXNBJ-LURJTMIESA-N
MW221.22 g/mol
LogP-1.01
Rot. Bonds1

About 7-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 104892913) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 7-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID104892913
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name7-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESO=c1[nH]nc2cc(N3CC[C@H](O)C3)ncn12
InChIInChI=1S/C9H11N5O2/c15-6-1-2-13(4-6)7-3-8-11-12-9(16)14(8)5-10-7/h3,5-6,15H,1-2,4H2,(H,12,16)/t6-/m0/s1
InChIKeyGEBWAOZNDXXNBJ-LURJTMIESA-N
XLogP-1.01
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one with MolForge

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Related Compounds

7-(3,4-dihydroxypyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 106673245
7-(3-chloro-4-methylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 102960804
7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 113282087
7-(4-bromopiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 80674533
7-(4-acetylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282689
1-(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperidine-3-carbaldehyde
CID 66282160
7-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 81097351
7-[2-(aminomethyl)morpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282684
7-[4-(2-bromoethyl)piperazin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 80675558
7-[2-(hydroxymethyl)azepan-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 116636896
7-[2-(bromomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 80676570
7-[(3-hydroxycyclobutyl)methyl-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283513

Frequently Asked Questions

What is the IUPAC name of 7-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 104892913) is 7-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is O=c1[nH]nc2cc(N3CC[C@H](O)C3)ncn12.
What is the InChIKey of 7-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is GEBWAOZNDXXNBJ-LURJTMIESA-N. The full InChI is InChI=1S/C9H11N5O2/c15-6-1-2-13(4-6)7-3-8-11-12-9(16)14(8)5-10-7/h3,5-6,15H,1-2,4H2,(H,12,16)/t6-/m0/s1.
What are the key properties of 7-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 221.22 g/mol, XLogP of -1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 104892913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).